SCHEMBL5757618

SCHEMBL5757618

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NC1CCN(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.41
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ACKR3 P25106 1/20 0.36
REN P00797 1/20 0.35
USP30 Q70CQ3 1/20 0.35
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5123449 0.91 CYP2C19 (0.44) CACNA1BATMHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL5124110 0.91 CYP2C19 (0.44) CACNA1BATMHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL5124757 0.91 CYP2C19 (0.44) CACNA1BATMHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL5123437 0.91 CYP2C19 (0.44) CACNA1BATMHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL4564775 0.91 CYP2C19 (0.44) CACNA1BATMHSD17B10L3MBTL1SMN1; SMN2
Bromide SCHEMBL5123871 0.90 CYP2C19 (0.44) CACNA1BATMHSD17B10L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL5117576 0.90 CYP2C19 (0.44) CACNA1BATMHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL5117048 0.90 CYP2C19 (0.43) CACNA1BATMHSD17B10SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5125644 0.89 CYP2C19 (0.43) CACNA1BATMHSD17B10SMN1; SMN2MEN1
SCHEMBL5754129 0.88 ATM (0.37) CACNA1BATMHSD17B10L3MBTL1CTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP disclosed